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Chemical structure of Alpha-Solamarine

GC35307

Alpha-Solamarine

Also known as 2-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Alpha-Solamarine is a glycoalkaloid isolated from Solanum aculeastrum

ChemicalCAS20318-30-3MW884.06FormulaC45H73NO16
CAS number
20318-30-3
Molecular weight
884.06
Formula
C45H73NO16
Solubility
Soluble in DMSO
InChIKey
RCTKRNCKOYYRIO-UHFFFAOYSA-N
Catalogue number
GC35307
Brand
GLPBIO
Computed properties PubChem CID 14428446 · XLogP 1.1 · TPSA 259 Ų · H-bond donors 10
XLogP
1.1
TPSA
259 Ų
H-bond donors
10
H-bond acceptors
17
Rotatable bonds
8
Heavy atoms
62

SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)C)C)NC1

Computed descriptors from PubChem (CID 14428446), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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